![CAS 252935-94-7 2,6-PYRIDINEDIAMINE, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252935-94-7.gif)
CAS RN: 252935-94-7
2,6-PYRIDINEDIAMINE, N6-[2-[[4-(2,4-DICHLOROPHENYL)-5-(1H-IMIDAZOL-1-YL)-2-PYRIMIDINYL]AMINO]ETHYL]-3-NITRO-
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250919 | 1ml | In stock | Inquiry |
- Product code: SSC-121132
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
252935-94-7 / 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
Basic Information
CAS
252935-94-7
Multi CAS
Yes
Molecular Formula
C20H17CL2N9O2
Molecular Weight
486.300000
Exact Mass
485.088226
InChI
InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)
InChIKey
MDZCSIDIPDZWKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
23
Fraction Csp3
0.1
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
4
Molar refractivity
127.35
TPSA
160.57
LogP / Solubility
WLOGP
4.25
MLOGP
3.77
XLogP3
4.2
Consensus LogP
4.07
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
METHANESULFONIC ACID 4,4,5,5,5-PENTAFLUORO-PENTYL ESTER
- CAS RN: 252947-01-6
- Product Code: SSC-121137
-
2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(2-methylphenyl)amino]-
- CAS RN: 252950-56-4
- Product Code: starshine_CAS252950-56-4
- Purity/Analytical method: >99.0%
-
Ethanone,1-(2,4-dichlorophenyl)-2-(5-Methyl-1H-iMidazol-2-yl)-
- CAS RN: 252953-85-8
- Product Code: SSC-121140
-
(Z)-1-(2,4-dichlorophenyl)-3-(diMethylaMino)-2-(4-Methyl-1H-iMidazol-2-yl)prop-2-en-1-one
- CAS RN: 252953-86-9
- Product Code: SSC-121141
![CAS 252950-56-4 2,5-Cyclohexadiene-1,4-dione, 2,5-bis[(2-methylphenyl)amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/252950-56-4.gif)
